| Entry |
|
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| Name |
Inositol niacinate (USAN);
Inositol nicotinate (INN);
Inositol hexanicotinate (JAN);
Palohex (TN) |
|---|
| Formula |
C42H30N6O12
|
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| Exact mass |
810.1922
|
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| Mol weight |
810.7206
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Vasodilator (peripheral) |
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C04 PERIPHERAL VASODILATORS
C04A PERIPHERAL VASODILATORS
C04AC Nicotinic acid and derivatives
C04AC03 Inositol nicotinate
D01813 Inositol niacinate (USAN)
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Inositol hexanicotinate
D01813 Inositol niacinate (USAN)
|
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| Other DBs |
|
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| KCF data |
ATOM 60
1 C1y C 7.8400 -16.1000
2 C1y C 7.8400 -17.5000
3 C1y C 9.0524 -18.2000
4 C1y C 10.2649 -17.5000
5 C1y C 10.2649 -16.1000
6 C1y C 9.0524 -15.4000
7 O7a O 6.6276 -15.4000
8 C7a C 5.4151 -16.1000
9 O6a O 5.4151 -17.5000
10 O7a O 6.6276 -18.2000
11 O7a O 9.0524 -14.0000
12 C7a C 7.8400 -13.3000
13 O6a O 6.6276 -14.0000
14 O7a O 11.4773 -15.4000
15 C7a C 11.4773 -14.0000
16 O6a O 10.2649 -13.3000
17 O7a O 11.4773 -18.2000
18 C7a C 12.6897 -17.5000
19 O6a O 12.6897 -16.1000
20 O7a O 9.0524 -19.6000
21 C7a C 10.2649 -20.3000
22 O6a O 11.4773 -19.6000
23 C7a C 6.6276 -19.6000
24 O6a O 7.8400 -20.3000
25 C8y C 7.8400 -11.9000
26 C8x C 9.0524 -11.2000
27 C8x C 9.0524 -9.8000
28 C8x C 7.8400 -9.1000
29 N5x N 6.6276 -9.8000
30 C8x C 6.6276 -11.2000
31 C8y C 12.6918 -13.2988
32 C8x C 13.8883 -13.9898
33 C8x C 15.1008 -13.2899
34 C8x C 15.1009 -11.8899
35 N5x N 13.9044 -11.1990
36 C8x C 12.6919 -11.8988
37 C8y C 13.8873 -18.1915
38 C8x C 13.8873 -19.5997
39 C8x C 15.0998 -20.2997
40 C8x C 16.3122 -19.5997
41 N5x N 16.3122 -18.1915
42 C8x C 15.0997 -17.4915
43 C8y C 10.2649 -21.6998
44 C8x C 9.0713 -22.3891
45 C8x C 9.0715 -23.7891
46 C8x C 10.2841 -24.4889
47 N5x N 11.4776 -23.7996
48 C8x C 11.4774 -22.3996
49 C8y C 5.4321 -20.2904
50 C8x C 4.2447 -19.6049
51 C8x C 3.0323 -20.3050
52 C8x C 3.0324 -21.7050
53 N5x N 4.2197 -22.3904
54 C8x C 5.4321 -21.6904
55 C8y C 4.1840 -15.3890
56 C8x C 4.1843 -14.0001
57 C8x C 2.9720 -13.2998
58 C8x C 1.7594 -13.9995
59 N5x N 1.7591 -15.3884
60 C8x C 2.9714 -16.0887
BOND 66
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 1 7 1 #Up
8 7 8 1
9 8 9 2
10 2 10 1 #Up
11 6 11 1 #Down
12 11 12 1
13 12 13 2
14 5 14 1 #Up
15 14 15 1
16 15 16 2
17 4 17 1 #Down
18 17 18 1
19 18 19 2
20 3 20 1 #Up
21 20 21 1
22 21 22 2
23 10 23 1
24 23 24 2
25 12 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 28 29 1
30 29 30 2
31 25 30 1
32 15 31 1
33 31 32 2
34 32 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 31 36 1
39 18 37 1
40 37 38 2
41 38 39 1
42 39 40 2
43 40 41 1
44 41 42 2
45 37 42 1
46 21 43 1
47 43 44 2
48 44 45 1
49 45 46 2
50 46 47 1
51 47 48 2
52 43 48 1
53 23 49 1
54 49 50 2
55 50 51 1
56 51 52 2
57 52 53 1
58 53 54 2
59 49 54 1
60 8 55 1
61 55 56 2
62 56 57 1
63 57 58 2
64 58 59 1
65 59 60 2
66 55 60 1
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